⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23819354 | 0.73 | — | — | |
| Formic Acid SCHEMBL2592857 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL11407024 | 0.71 | — | — | |
| SCHEMBL2594474 | 0.70 | KMT2A (0.42) | — | |
| SCHEMBL8340158 | 0.69 | ADORA3 (0.54) | — | |
| SCHEMBL1519906 | 0.68 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL2032392 | 0.67 | TSHR (0.36) | — | |
| SCHEMBL8947158 | 0.64 | ADORA3 (0.53) | — | |
| SCHEMBL7692962 | 0.64 | TSHR (0.47) | — | |
| SCHEMBL3208731 | 0.63 | TSHR (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102958922-B | 2,5,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-3-base amine or 2,3,6,7-tetrahydrochysene-[Isosorbide-5-Nitrae] oxygen azepine *-5-ylamine compounds | HOFFMAN-LA ROCHE LTD. (CH) | 2015-09-30 | — | — | CN | disclosed |
| EP-2566855-B1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | HOFFMANN LA ROCHE (CH) | 2014-05-21 | — | — | EP | disclosed |
| US-8673894-B2 | 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-03-18 | — | — | US | disclosed |
| US-20140045820-A1 | 2,5,6,7-Tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds | HOFFMANN-LA ROCHE INC. (US) | 2014-02-13 | — | — | US | disclosed |
| EP-2566855-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2013-03-13 | — | — | EP | disclosed |
| CN-102958922-A | 2,5,6,7-tetrahydro-[1,4]oxazepin-3-ylamine or 2,3,6,7-tetrahydro-[1,4]oxazepin-5-ylamine compounds | HOFFMANN LA ROCHE | 2013-03-06 | — | — | CN | disclosed |
| US-20110312937-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | SIENA BIOTECH S.P.A. (IT) | 2011-12-22 | — | — | US | disclosed |
| WO-2011138293-A1 | 2,5,6,7-TETRAHYDRO-[1,4]OXAZEPIN-3-YLAMINE OR 2,3,6,7-TETRAHYDRO-[1,4]OXAZEPIN-5-YLAMINE COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-11-10 | — | — | WO | disclosed |